1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C18H37N3O4S — CID 3241773

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C18H37N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-10-7-17(8-11-20)18(22)19-9-6-12-25-5/h15-17H,6-14H2,1-5H3,(H,19,22)
InChIKeyFDKVOURYMDUWKX-UHFFFAOYSA-N
MW391.58 g/mol
LogP1.71
Rot. Bonds11

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 3241773) has the molecular formula C18H37N3O4S and a molecular weight of 391.58 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID3241773
Molecular FormulaC18H37N3O4S
Molecular Weight391.58 g/mol
Exact Mass391.25
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C18H37N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-10-7-17(8-11-20)18(22)19-9-6-12-25-5/h15-17H,6-14H2,1-5H3,(H,19,22)
InChIKeyFDKVOURYMDUWKX-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 3241773) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is FDKVOURYMDUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-10-7-17(8-11-20)18(22)19-9-6-12-25-5/h15-17H,6-14H2,1-5H3,(H,19,22).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 391.58 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).